ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C18H26N2O4S — CID 2792074

IUPACethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C)C2
InChIInChI=1S/C18H26N2O4S/c1-3-24-18(22)16-13-5-4-12(2)10-14(13)25-17(16)19-15(21)11-20-6-8-23-9-7-20/h12H,3-11H2,1-2H3,(H,19,21)
InChIKeyOIUCVSKUIBLACK-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.32
Rot. Bonds5

About ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (PubChem CID 2792074) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
PubChem CID2792074
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C)C2
InChIInChI=1S/C18H26N2O4S/c1-3-24-18(22)16-13-5-4-12(2)10-14(13)25-17(16)19-15(21)11-20-6-8-23-9-7-20/h12H,3-11H2,1-2H3,(H,19,21)
InChIKeyOIUCVSKUIBLACK-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate with MolForge

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Related Compounds

Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-morpholinoacetamido)-, ethyl ester
CID 44008
Ethyl 2-[(4-morpholinylacetyl)amino]-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1208310
2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
CID 98682
2-(Morpholine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 8070567
Methyl 2-(3-morpholinopropanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 1186776
3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester
CID 100701
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-6-methyl-, ethyl ester
CID 2788861
Ethyl 5,5-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
CID 658568
4-(4-Methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 1184248
2-[[2-(4-Morpholinyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester
CID 1189893
Ethyl 2-[(ethoxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1825628

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CID 2792074) is ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C)C2.
What is the InChIKey of ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The InChIKey is OIUCVSKUIBLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-24-18(22)16-13-5-4-12(2)10-14(13)25-17(16)19-15(21)11-20-6-8-23-9-7-20/h12H,3-11H2,1-2H3,(H,19,21).
What are the key properties of ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has a molecular weight of 366.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 2792074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).